CID 56593241

Amac cpd

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC(C)C(C(=O)N1CCC1C#N)N
InChI
InChI=1S/C9H15N3O/c1-6(2)8(11)9(13)12-4-3-7(12)5-10/h6-8H,3-4,11H2,1-2H3
InChIKey
UHKUQSBZFWWHQL-UHFFFAOYSA-N
Compound name
1-(2-amino-3-methylbutanoyl)azetidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

181.1215 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 143.2
[M+Na]+ 204.11072 148.0
[M-H]- 180.11422 144.4
[M+NH4]+ 199.15532 153.3
[M+K]+ 220.08466 152.1
[M+H-H2O]+ 164.11876 125.2
[M+HCOO]- 226.11970 157.6
[M+CH3COO]- 240.13535 200.8
[M+Na-2H]- 202.09617 143.1
[M]+ 181.12095 143.3
[M]- 181.12205 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.